methyl 2-(3-bromothiophen-2-yl)thiophene-3-carboxylate;molecular hydrogen

C10H25BrO2S2 — CID 167618862

IUPACmethyl 2-(3-bromothiophen-2-yl)thiophene-3-carboxylate;molecular hydrogen
SMILESCOC(=O)c1ccsc1-c1sccc1Br.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C10H7BrO2S2.9H2/c1-13-10(12)6-2-4-14-8(6)9-7(11)3-5-15-9;;;;;;;;;/h2-5H,1H3;9*1H
InChIKeyMDLAUBLANAOCJE-UHFFFAOYSA-N
MW321.35 g/mol
LogP6.24
Rot. Bonds2

About methyl 2-(3-bromothiophen-2-yl)thiophene-3-carboxylate;molecular hydrogen

methyl 2-(3-bromothiophen-2-yl)thiophene-3-carboxylate;molecular hydrogen (PubChem CID 167618862) has the molecular formula C10H25BrO2S2 and a molecular weight of 321.35 g/mol. Its IUPAC name is methyl 2-(3-bromothiophen-2-yl)thiophene-3-carboxylate;molecular hydrogen.

Molecular Properties

Compound Namemethyl 2-(3-bromothiophen-2-yl)thiophene-3-carboxylate;molecular hydrogen
PubChem CID167618862
Molecular FormulaC10H25BrO2S2
Molecular Weight321.35 g/mol
Exact Mass320.05
IUPAC Namemethyl 2-(3-bromothiophen-2-yl)thiophene-3-carboxylate;molecular hydrogen
SMILESCOC(=O)c1ccsc1-c1sccc1Br.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C10H7BrO2S2.9H2/c1-13-10(12)6-2-4-14-8(6)9-7(11)3-5-15-9;;;;;;;;;/h2-5H,1H3;9*1H
InChIKeyMDLAUBLANAOCJE-UHFFFAOYSA-N
XLogP6.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.35
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-(3-bromothiophen-2-yl)-2-methyl-1,3-thiazole-4-carboxylate
CID 106510688
methyl 2-acetylthiophene-3-carboxylate
CID 13447179
methyl 2-ethylthiophene-3-carboxylate
CID 13099127
methyl 2-methylsulfonylthiophene-3-carboxylate
CID 166260160
methyl 3-(methylamino)thiophene-2-carboxylate
CID 19005896
methyl 2-(3-methoxythiophen-2-yl)benzoate
CID 141479159
methyl 2-[(E)-1-methoxyethylideneamino]thiophene-3-carboxylate
CID 20678897
methyl 4-bromo-5-iodothiophene-3-carboxylate
CID 818873
methyl 2-[(5-bromothiophene-2-carbonyl)amino]thiophene-3-carboxylate
CID 7166879
dimethyl 2-bromobenzene-1,3-dicarboxylate
CID 12699360
methyl 4-bromo-5-thiophen-2-ylthiophene-2-carboxylate
CID 165446793
methyl 2-bromo-5-methylbenzoate
CID 15110996

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-bromothiophen-2-yl)thiophene-3-carboxylate;molecular hydrogen?
The IUPAC name of methyl 2-(3-bromothiophen-2-yl)thiophene-3-carboxylate;molecular hydrogen (CID 167618862) is methyl 2-(3-bromothiophen-2-yl)thiophene-3-carboxylate;molecular hydrogen.
What is the SMILES notation for methyl 2-(3-bromothiophen-2-yl)thiophene-3-carboxylate;molecular hydrogen?
The canonical SMILES for methyl 2-(3-bromothiophen-2-yl)thiophene-3-carboxylate;molecular hydrogen is COC(=O)c1ccsc1-c1sccc1Br.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of methyl 2-(3-bromothiophen-2-yl)thiophene-3-carboxylate;molecular hydrogen?
The InChIKey is MDLAUBLANAOCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrO2S2.9H2/c1-13-10(12)6-2-4-14-8(6)9-7(11)3-5-15-9;;;;;;;;;/h2-5H,1H3;9*1H.
What are the key properties of methyl 2-(3-bromothiophen-2-yl)thiophene-3-carboxylate;molecular hydrogen?
methyl 2-(3-bromothiophen-2-yl)thiophene-3-carboxylate;molecular hydrogen has a molecular weight of 321.35 g/mol, XLogP of 6.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-bromothiophen-2-yl)thiophene-3-carboxylate;molecular hydrogen is sourced from PubChem (CID 167618862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).